2-amino-5-[(4-bromophenyl)methoxy]benzoic acid

C14H12BrNO3 — CID 82824687

IUPAC2-amino-5-[(4-bromophenyl)methoxy]benzoic acid
SMILESNc1ccc(OCc2ccc(Br)cc2)cc1C(=O)O
InChIInChI=1S/C14H12BrNO3/c15-10-3-1-9(2-4-10)8-19-11-5-6-13(16)12(7-11)14(17)18/h1-7H,8,16H2,(H,17,18)
InChIKeyYYAZFXAEFDWEFM-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.31
Rot. Bonds4

About 2-amino-5-[(4-bromophenyl)methoxy]benzoic acid

2-amino-5-[(4-bromophenyl)methoxy]benzoic acid (PubChem CID 82824687) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is 2-amino-5-[(4-bromophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-amino-5-[(4-bromophenyl)methoxy]benzoic acid
PubChem CID82824687
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Name2-amino-5-[(4-bromophenyl)methoxy]benzoic acid
SMILESNc1ccc(OCc2ccc(Br)cc2)cc1C(=O)O
InChIInChI=1S/C14H12BrNO3/c15-10-3-1-9(2-4-10)8-19-11-5-6-13(16)12(7-11)14(17)18/h1-7H,8,16H2,(H,17,18)
InChIKeyYYAZFXAEFDWEFM-UHFFFAOYSA-N
XLogP3.31
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 107077092
2-amino-5-[(4-bromo-2-chlorophenyl)methoxy]benzoic acid
CID 107077061
4-[(4-bromophenyl)methoxy]benzoic acid
CID 8706939
2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid
CID 65125909
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate
CID 61305630
2-amino-3-[(4-bromophenyl)methoxy]benzoic acid
CID 82831410
2-amino-5-prop-2-enoxybenzoic acid
CID 57155191
2-amino-5-propoxybenzoic acid
CID 12719187
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid
CID 106500475
2-acetyloxy-5-phenylmethoxybenzoic acid
CID 71396804

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-bromophenyl)methoxy]benzoic acid?
The IUPAC name of 2-amino-5-[(4-bromophenyl)methoxy]benzoic acid (CID 82824687) is 2-amino-5-[(4-bromophenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-amino-5-[(4-bromophenyl)methoxy]benzoic acid?
The canonical SMILES for 2-amino-5-[(4-bromophenyl)methoxy]benzoic acid is Nc1ccc(OCc2ccc(Br)cc2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-[(4-bromophenyl)methoxy]benzoic acid?
The InChIKey is YYAZFXAEFDWEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c15-10-3-1-9(2-4-10)8-19-11-5-6-13(16)12(7-11)14(17)18/h1-7H,8,16H2,(H,17,18).
What are the key properties of 2-amino-5-[(4-bromophenyl)methoxy]benzoic acid?
2-amino-5-[(4-bromophenyl)methoxy]benzoic acid has a molecular weight of 322.16 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-bromophenyl)methoxy]benzoic acid is sourced from PubChem (CID 82824687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).